이름: [(2R)-7-(benzyloxy)-8-(2-hydroxyethyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl 4-methylbenzenesulfonate
SMILES:
Cc1ccc(S(=O)(=O)OC[C@H]2COc3ccc(OCc4ccccc4)c(CCO)c3O2)cc1Molecular Processing
Molecular formula
C25H26O7S
Molecular weight
470.54
Exact mass
470.1399
XLogP
3.65
TPSA
91.29
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
9
Heavy atoms
33
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.28
Molar refractivity
122.23
Supplementary Information
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